[2-[4-[2-(phenylmethyl)piperidin-1-yl]hexylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [2-[4-[2-(phenylmethyl)piperidin-1-yl]hexylsulfanyl]-6-propan-2-yl-pyridin-3-yl]-thiophen-2-yl-methanone Openeye Name: [2-[4-(2-benzyl-1-piperidyl)hexylsulfanyl]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone CAS Name: [2-[4-[2-(phenylmethyl)-1-piperidinyl]hexylthio]-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone IUPAC Name: [2-[4-(2-benzylpiperidin-1-yl)hexylsulfanyl]-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone Traditional Name: [2-[4-(2-benzylpiperidino)hexylthio]-6-isopropyl-3-pyridyl]-(2-thienyl)methanone Formula: C31H40N2OS2 MolecularWeight: 520.7921

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCSC1=C(C=CC(=N1)C(C)C)C(=O)C2=CC=CS2)N3CCCCC3CC4=CC=CC=C4

Isomeric SMILES

CCC(CCCSC1=C(C=CC(=N1)C(C)C)C(=O)C2=CC=CS2)N3CCCCC3CC4=CC=CC=C4

InChI

InChI=1S/C31H40N2OS2/c1-4-25(33-19-9-8-14-26(33)22-24-12-6-5-7-13-24)15-10-21-36-31-27(17-18-28(32-31)23(2)3)30(34)29-16-11-20-35-29/h5-7,11-13,16-18,20,23,25-26H,4,8-10,14-15,19,21-22H2,1-3H3